SCHEMBL25312956

SCHEMBL25312956

O=C(CCNCc1n[nH]c(=O)c2ccccc12)N1CCN(c2ncc(C(F)(F)F)cn2)CC1

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ PARP1 P09874 3/20 0.59
▸ TIPARP Q7Z3E1 16/20 0.56
▸ CYP2C9 P11712 1/20 0.47
▸ PARP14 Q460N5 1/20 0.47
▸ PARP16 Q8N5Y8 1/20 0.47
▸ PARP12 Q9H0J9 1/20 0.47
▸ TNKS2 Q9H2K2 1/20 0.47
▸ PARP11 Q9NR21 1/20 0.47
▸ PARP2 Q9UGN5 1/20 0.47
▸ PARP4 Q9UKK3 1/20 0.47
▸ PARP3 Q9Y6F1 1/20 0.47
▸ MAPT P10636 1/20 0.47
▸ ROCK2 O75116 1/20 0.47
▸ ROCK1 Q13464 1/20 0.47

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL25309030 0.87 TIPARP (0.63) PARP1TIPARPROCK2ROCK1
SCHEMBL25309796 0.86 TIPARP (0.67) PARP1TIPARPROCK2ROCK1
SCHEMBL25311880 0.85 PARP1 (0.48) PARP1TIPARPMAPT
SCHEMBL25309752 0.85 PARP1 (0.59) PARP1TIPARPCYP2C9PARP14PARP16
SCHEMBL25309636 0.84 TIPARP (0.59) PARP1TIPARPROCK2ROCK1
SCHEMBL25262512 0.84 PARP1 (0.61) PARP1TIPARPROCK2ROCK1
SCHEMBL25310607 0.83 TIPARP (0.57) PARP1TIPARPROCK2ROCK1
SCHEMBL25222431 0.83 TIPARP (0.75) PARP1TIPARPCYP2C9PARP14PARP16
SCHEMBL25309446 0.82 TIPARP (0.56) PARP1TIPARPCYP2C9PARP14PARP16
SCHEMBL25311169 0.80 TIPARP (0.54) PARP1TIPARPCYP2C9PARP14PARP16

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023139536-A1 (4-PIPERAZIN-1YL)-4-ALKYL-PHTHALAZIN-1(2H)-ONE COMPOUNDS AS PARP7 INHIBITORS RHIZEN PHARMACEUTICALS AG (CH) 2023-07-27 — — WO claimed
WO-2023139536-A1 (4-PIPERAZIN-1YL)-4-ALKYL-PHTHALAZIN-1(2H)-ONE COMPOUNDS AS PARP7 INHIBITORS RHIZEN PHARMACEUTICALS AG (CH) 2023-07-27 — — WO disclosed
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